1-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]-3-pentyl-thiourea CAS Name: 1-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]-3-pentylthiourea IUPAC Name: 1-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]thiourea Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-2-3-9-14-22-21(29)24-23-19(27)18-16-12-7-8-13-17(16)20(28)26(25-18)15-10-5-4-6-11-15/h4-8,10-13H,2-3,9,14H2,1H3,(H,23,27)(H2,22,24,29)